1.0 2010-04-08 22:13:06 UTC 2025-11-19 01:54:33 UTC FDB017456 beta-Humulene Beta-humulene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes that contain 15 carbon atoms and are comprised of three isoprene units. The biosynthesis of sesquiterpenes is known to occur mainly through the mevalonic acid pathway (MVA), in the cytosol. However, recent studies have found evidence of pathway crosstalk with the methyl-eritritol-phosphate (MEP) pathway in the cytoplasm (PMID:23746261). Farnesyl diphosphate (FPP) is a key intermediate in the biosynthesis of cyclic sesquiterpenes. FPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. Beta-humulene is possibly neutral. It is detected in allspice and guava fruit, celery seed, lemon oil and spearmint leaf ( http://www.thegoodscentscompany.com/data/rw1539551.html#tooccur ). (E,E)-1,4,4-Trimethyl-8-methylene-1,5-cycloundecadiene 1,4,4-Trimethyl-8-methylene-(e,e)-1,5-cycloundecadiene 1,4,4-Trimethyl-8-methylene-1,5-cycloundecadiene 1,5-Cycloundecadiene, 1,4,4-trimethyl-8-methylene-, (E,E)- b-Humulene beta-Humulene C15H24 204.3511 204.187800768 (1Z,5Z)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene (1Z,5Z)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene 116-04-1 C\C1=C\CC(C)(C)\C=C/CC(=C)CCC1 InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,10-11H,1,5,7-9,12H2,2-4H3/b11-6-,14-10- HAVYZKHVTLAPDZ-PRUKLFJYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Branched unsaturated hydrocarbon Cyclic olefin Humulane sesquiterpenoid Hydrocarbon Olefin Sesquiterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 5.97 ALOGPS logs -4.93 ALOGPS solubility 2.42e-03 g/l ALOGPS melting_point < 25 oC logp 4.94 ChemAxon iupac (1Z,5Z)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles C\C1=C\CC(C)(C)\C=C/CC(=C)CCC1 ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6,10-11H,1,5,7-9,12H2,2-4H3/b11-6-,14-10- ChemAxon inchikey HAVYZKHVTLAPDZ-PRUKLFJYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 70.48 ChemAxon polarizability 26.04 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 94548 Specdb::MsMs 94549 Specdb::MsMs 94550 Specdb::MsMs 158589 Specdb::MsMs 158590 Specdb::MsMs 158591 Specdb::MsMs 2722071 Specdb::MsMs 2722072 Specdb::MsMs 2722073 Specdb::MsMs 2959713 Specdb::MsMs 2959714 Specdb::MsMs 2959715 Specdb::CMs 21185 Specdb::CMs 131417 Specdb::CMs 139151 HMDB38214 49312 #<Reference:0x000055ce308d4128> Alcoholic beverages Unknown generic Allspice Type 1 specific Pimenta dioica 375272 40.5 40.5 40.5 mg/100 g Guava Type 1 specific Psidium guajava 120290 Lemon Type 1 specific Citrus limon 2708 1.0 1.0 1.0 mg/100 g Spearmint Type 1 specific Mentha spicata 29719 Wild celery Type 1 specific Apium graveolens 4045